[(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate

C19H16N2O4 — CID 165402895

IUPAC[(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate
SMILESC[C@@H](OC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O4/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)25-19(22)20-17-8-4-5-9-18(17)21(23)24/h2-13H,1H3,(H,20,22)/t13-/m1/s1
InChIKeyGKRWDEWFQOSJOL-CYBMUJFWSA-N
MW336.35 g/mol
LogP5.06
Rot. Bonds4

About [(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate

[(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate (PubChem CID 165402895) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate.

Molecular Properties

Compound Name[(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate
PubChem CID165402895
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate
SMILESC[C@@H](OC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O4/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)25-19(22)20-17-8-4-5-9-18(17)21(23)24/h2-13H,1H3,(H,20,22)/t13-/m1/s1
InChIKeyGKRWDEWFQOSJOL-CYBMUJFWSA-N
XLogP5.06
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.35
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 7795760
(2S)-2-naphthalen-2-ylsulfanyl-N-(2-nitrophenyl)propanamide
CID 7793144
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786599
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 9278840
[(1R)-1-(6,11-dioxotetracen-2-yl)ethyl] N-phenylcarbamate
CID 70517323
2-(4-bromophenoxy)-N-(2-nitrophenyl)propanamide
CID 2953745
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821803
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
CID 7833634
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139404
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 3-fluorobenzoate
CID 8612386
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772836
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate?
The IUPAC name of [(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate (CID 165402895) is [(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate.
What is the SMILES notation for [(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate?
The canonical SMILES for [(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate is C[C@@H](OC(=O)Nc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1.
What is the InChIKey of [(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate?
The InChIKey is GKRWDEWFQOSJOL-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-13(15-11-10-14-6-2-3-7-16(14)12-15)25-19(22)20-17-8-4-5-9-18(17)21(23)24/h2-13H,1H3,(H,20,22)/t13-/m1/s1.
What are the key properties of [(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate?
[(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate has a molecular weight of 336.35 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-naphthalen-2-ylethyl] N-(2-nitrophenyl)carbamate is sourced from PubChem (CID 165402895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).